6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine

C8H8N2S2 — CID 6461607

IUPAC6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine
SMILESCSc1ncnc2sc(C)cc12
InChIInChI=1S/C8H8N2S2/c1-5-3-6-7(11-2)9-4-10-8(6)12-5/h3-4H,1-2H3
InChIKeyHOASDGCNODVMOU-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.72
Rot. Bonds1

About 6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine

6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine (PubChem CID 6461607) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine
PubChem CID6461607
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine
SMILESCSc1ncnc2sc(C)cc12
InChIInChI=1S/C8H8N2S2/c1-5-3-6-7(11-2)9-4-10-8(6)12-5/h3-4H,1-2H3
InChIKeyHOASDGCNODVMOU-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine (CID 6461607) is 6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine is CSc1ncnc2sc(C)cc12.
What is the InChIKey of 6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine?
The InChIKey is HOASDGCNODVMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-5-3-6-7(11-2)9-4-10-8(6)12-5/h3-4H,1-2H3.
What are the key properties of 6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine?
6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine has a molecular weight of 196.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 6461607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).